| SpectraBase Compound ID | CseRrFfxjk0 |
|---|---|
| InChI | InChI=1S/C19H18O5/c1-2-3-11-23-18(21)14-8-6-9-15(12-14)19(22)24-17-10-5-4-7-16(17)13-20/h4-10,12-13H,2-3,11H2,1H3 |
| InChIKey | KWFDQRFRXNLTOU-UHFFFAOYSA-N |
| Mol Weight | 326.35 g/mol |
| Molecular Formula | C19H18O5 |
| Exact Mass | 326.115424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1KQot2cpy06 |
|---|---|
| Name | Isophthalic acid, butyl 2-formylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.115423675 u |
| Formula | C19H18O5 |
| InChI | InChI=1S/C19H18O5/c1-2-3-11-23-18(21)14-8-6-9-15(12-14)19(22)24-17-10-5-4-7-16(17)13-20/h4-10,12-13H,2-3,11H2,1H3 |
| InChIKey | KWFDQRFRXNLTOU-UHFFFAOYSA-N |
| Molecular Weight | 326.348 g/mol |
| SMILES | C1=C(C(=CC=C1)C=O)OC(C1=CC(=CC=C1)C(OCCCC)=O)=O |